4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S896-0124 |
| Compound Name: | 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | CCN1CCN(CC1)c1c2CCOCCc2nc(c2ccc(cc2)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9145 |
| logD: | 2.589 |
| logSw: | -4.0193 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.665 |
| InChI Key: | FMSISEUOUMJAJE-UHFFFAOYSA-N |